2-(2-bicyclo[2.2.1]heptanyl)-1-cyclooctyl-N-ethylethanamine

C19H35N — CID 80603053

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-cyclooctyl-N-ethylethanamine
SMILESCCNC(CC1CC2CCC1C2)C1CCCCCCC1
InChIInChI=1S/C19H35N/c1-2-20-19(16-8-6-4-3-5-7-9-16)14-18-13-15-10-11-17(18)12-15/h15-20H,2-14H2,1H3
InChIKeyNMJJWOQONKPFPD-UHFFFAOYSA-N
MW277.50 g/mol
LogP5.15
Rot. Bonds5

About 2-(2-bicyclo[2.2.1]heptanyl)-1-cyclooctyl-N-ethylethanamine

2-(2-bicyclo[2.2.1]heptanyl)-1-cyclooctyl-N-ethylethanamine (PubChem CID 80603053) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-cyclooctyl-N-ethylethanamine.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-cyclooctyl-N-ethylethanamine
PubChem CID80603053
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-cyclooctyl-N-ethylethanamine
SMILESCCNC(CC1CC2CCC1C2)C1CCCCCCC1
InChIInChI=1S/C19H35N/c1-2-20-19(16-8-6-4-3-5-7-9-16)14-18-13-15-10-11-17(18)12-15/h15-20H,2-14H2,1H3
InChIKeyNMJJWOQONKPFPD-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-1-(3-bicyclo[3.1.0]hexanyl)-N-ethylethanamine
CID 105012693
2-(2-bicyclo[2.2.1]heptanyl)-1-(3,5-dimethylcyclohexyl)-N-ethylethanamine
CID 104988995
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-ethylethanamine
CID 79561773
1-cycloheptyl-2-cyclohexyl-N-ethylethanamine
CID 65399491
1,2-di(cycloheptyl)-N-ethylethanamine
CID 105027799
(1R)-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-cyclohexylethanamine
CID 81385495
[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-propan-2-ylcyclohexyl)ethyl]hydrazine
CID 105232617
1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentyl-N-propylpropan-2-amine
CID 115847377
1-cyclohexyl-N-ethylpropan-1-amine
CID 60817829
2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopentylethanamine
CID 79559439
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-methoxypropan-2-amine
CID 79563313
2-(2-bicyclo[2.2.1]heptanyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
CID 105168005

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-cyclooctyl-N-ethylethanamine?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-cyclooctyl-N-ethylethanamine (CID 80603053) is 2-(2-bicyclo[2.2.1]heptanyl)-1-cyclooctyl-N-ethylethanamine.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-cyclooctyl-N-ethylethanamine?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-cyclooctyl-N-ethylethanamine is CCNC(CC1CC2CCC1C2)C1CCCCCCC1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-cyclooctyl-N-ethylethanamine?
The InChIKey is NMJJWOQONKPFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N/c1-2-20-19(16-8-6-4-3-5-7-9-16)14-18-13-15-10-11-17(18)12-15/h15-20H,2-14H2,1H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-cyclooctyl-N-ethylethanamine?
2-(2-bicyclo[2.2.1]heptanyl)-1-cyclooctyl-N-ethylethanamine has a molecular weight of 277.50 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1-cyclooctyl-N-ethylethanamine is sourced from PubChem (CID 80603053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).